4-[(2-chlorophenyl)methylsulfanyl]-6-(4-phenylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-[(2-chlorophenyl)methylsulfanyl]-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-[(2-chlorophenyl)methylsulfanyl]-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-[(2-chlorophenyl)methylthio]-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-[(2-chlorophenyl)methylsulfanyl]-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-[(2-chlorobenzyl)thio]-6-(4-phenylpiperazino)pyrimidine Formula: C21H21ClN4S MolecularWeight: 396.93624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN4S/c22-19-9-5-4-6-17(19)15-27-21-14-20(23-16-24-21)26-12-10-25(11-13-26)18-7-2-1-3-8-18/h1-9,14,16H,10-13,15H2